ethyl 4-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-bromo-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-bromo-N-mesyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22BrN3O5S MolecularWeight: 448.33198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C16H22BrN3O5S/c1-3-25-16(22)19-9-7-18(8-10-19)15(21)12-20(26(2,23)24)14-6-4-5-13(17)11-14/h4-6,11H,3,7-10,12H2,1-2H3